Vitas-M small molecule compound
3-[4-(2-hydroxyethyl)phenyl]-8-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK826920
SMILES OCCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H23N3O2S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O2S/c1-16-2-6-18(7-3-16)20-12-22(28)26-14-25(15-29-23(26)21(20)13-24)19-8-4-17(5-9-19)10-11-27/h2-9,20,27H,10-12,14-15H2,1H3InChIKey
LDAOYKNIBWMXTB-UHFFFAOYSA-NSynonyms
3(4(2hydroxyethyl)phenyl)8(4methylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(4(2hydroxyethyl)phenyl)8(4methylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)CCO
InChI=1SC23H23N3O2Sc1162618(7316)201222(28)261425(152923(26)21(20)1324)198417(5919)101127h292027H10121415H21H3
MFCD10086915
ZINC000006803941
ZINC000006803942
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